Musk xylene (BioDeep_00000012863)

 

Secondary id: BioDeep_00001867758

human metabolite blood metabolite Volatile Flavor Compounds natural product


代谢物信息卡片


1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene

化学式: C12H15N3O6 (297.096081)
中文名称: 二甲苯麝香
谱图信息: 最多检出来源 Homo sapiens(blood) 66.67%

分子结构信息

SMILES: CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
InChI: InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3

描述信息

Flavouring compound [Superscent]

同义名列表

11 个代谢物同义名

1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene; 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene; 2,4,6-Trinitro-3,5-dimethyl-1-tert-butylbenzene; 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene; 2,4,6-trinitro-3,5-Dimethyl-tert-butylbenzene; 2,4,6-Trinitro-5-tert-butyl-m-xylene; 5-Tert-butyl-2,4,6-trinitroxylene; Xylene musk; Musk xylene; Musk Xylol; Musk xylene



数据库引用编号

14 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

8 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Jie Yin, Hao Wang, Jingguang Li, Yongning Wu, Bing Shao. Occurrence of synthetic musks in human breast milk samples from 12 provinces in China. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment. 2016 Jul; 33(7):1219-27. doi: 10.1080/19440049.2016.1201219. [PMID: 27310419]
  • Niklas Janzen, Elke Dopp, Julia Hesse, Jessica Richards, Jochen Türk, Kai Bester. Transformation products and reaction kinetics of fragrances in advanced wastewater treatment with ozone. Chemosphere. 2011 Nov; 85(9):1481-6. doi: 10.1016/j.chemosphere.2011.08.043. [PMID: 21955354]
  • Hao Wang, Jie Yin, Jing Zhang, Yongning Wu, Bing Shao. [Occurrence of synthetic musks in human milk samples collected from Beijing]. Wei sheng yan jiu = Journal of hygiene research. 2011 Sep; 40(5):605-7. doi: ". [PMID: 22043712]
  • Xiaolan Zhang, Gaofeng Liang, Xiangying Zeng, Jing Zhou, Guoying Sheng, Jiamo Ful. Levels of synthetic musk fragrances in human milk from three cities in the Yangtze River Delta in Eastern China. Journal of environmental sciences (China). 2011; 23(6):983-90. doi: 10.1016/s1001-0742(10)60506-2. [PMID: 22066221]
  • Yan Lv, Tao Yuan, Jiangyong Hu, Wenhua Wang. Seasonal occurrence and behavior of synthetic musks (SMs) during wastewater treatment process in Shanghai, China. The Science of the total environment. 2010 Sep; 408(19):4170-6. doi: 10.1016/j.scitotenv.2010.05.003. [PMID: 20633733]
  • H-P Hutter, P Wallner, W Hartl, M Uhl, G Lorbeer, R Gminski, V Mersch-Sundermann, M Kundi. Higher blood concentrations of synthetic musks in women above fifty years than in younger women. International journal of hygiene and environmental health. 2010 Mar; 213(2):124-30. doi: 10.1016/j.ijheh.2009.12.002. [PMID: 20056483]
  • Jessica L Reiner, Chung M Wong, Kathleen F Arcaro, Kurunthachalam Kannan. Synthetic musk fragrances in human milk from the United States. Environmental science & technology. 2007 Jun; 41(11):3815-20. doi: 10.1021/es063088a. [PMID: 17612154]
  • Yi Wan, Qiwei Wei, Jianying Hu, Xiaohui Jin, Zhaobin Zhang, Huajun Zhen, Jianyi Liu. Levels, tissue distribution, and age-related accumulation of synthetic musk fragrances in Chinese sturgeon (Acipenser sinensis): comparison to organochlorines. Environmental science & technology. 2007 Jan; 41(2):424-30. doi: 10.1021/es061771r. [PMID: 17310702]
  • Haruhiko Nakata. Occurrence of synthetic musk fragrances in marine mammals and sharks from Japanese coastal waters. Environmental science & technology. 2005 May; 39(10):3430-4. doi: 10.1021/es050199l. [PMID: 15952346]
  • David R Hawkins, Lionel F Elsom, David Kirkpatrick, Richard A Ford, Anne Marie Api. Dermal absorption and disposition of musk ambrette, musk ketone and musk xylene in human subjects. Toxicology letters. 2002 May; 131(3):147-51. doi: 10.1016/s0378-4274(01)00548-3. [PMID: 11992733]
  • R Gatermann, S Biselli, H Hühnerfuss, G G Rimkus, M Hecker, L Karbe. Synthetic musks in the environment. Part 1: Species-dependent bioaccumulation of polycyclic and nitro musk fragrances in freshwater fish and mussels. Archives of environmental contamination and toxicology. 2002 May; 42(4):437-46. doi: 10.1007/s00244-001-0041-2. [PMID: 11994785]
  • H U Käfferlein, J Angerer. Trends in the musk xylene concentrations in plasma samples from the general population from 1992/1993 to 1998 and the relevance of dermal uptake. International archives of occupational and environmental health. 2001 Sep; 74(7):470-6. doi: 10.1007/s004200100257. [PMID: 11697449]
  • J D Berset, P Bigler, D Herren. Analysis of nitro musk compounds and their amino metabolites in liquid sewage sludges using NMR and mass spectrometry. Analytical chemistry. 2000 May; 72(9):2124-31. doi: 10.1021/ac991006d. [PMID: 10815975]
  • G G Rimkus. Polycyclic musk fragrances in the aquatic environment. Toxicology letters. 1999 Dec; 111(1-2):37-56. doi: 10.1016/s0378-4274(99)00191-5. [PMID: 10630702]
  • G G Rimkus, R Gatermann, H Hühnerfuss. Musk xylene and musk ketone amino metabolites in the aquatic environment. Toxicology letters. 1999 Dec; 111(1-2):5-15. doi: 10.1016/s0378-4274(99)00190-3. [PMID: 10630699]
  • J Riedel, W Dekant. Biotransformation and toxicokinetics of musk xylene in humans. Toxicology and applied pharmacology. 1999 Jun; 157(2):145-55. doi: 10.1006/taap.1999.8665. [PMID: 10366547]
  • P Roveri, V Andrisano, A M Di Pietra, V Cavrini. GC-MS analysis of incenses for possible presence of allergenic nitromusks. Journal of pharmaceutical and biomedical analysis. 1998 Jul; 17(3):393-8. doi: 10.1016/s0731-7085(97)00219-7. [PMID: 9656149]
  • R Suter-Eichenbeger, H Altorfer, W Lichtensteiger, M Schlumpf. Bioaccumulation of musk xylene (MX) in developing and adult rats of both sexes. Chemosphere. 1998 Jun; 36(13):2747-62. doi: 10.1016/s0045-6535(97)10234-x. [PMID: 9745705]
  • J Angerer, H U Käfferlein. Gas chromatographic method using electron-capture detection for the determination of musk xylene in human blood samples. Biological monitoring of the general population. Journal of chromatography. B, Biomedical sciences and applications. 1997 May; 693(1):71-8. doi: 10.1016/s0378-4347(96)00517-8. [PMID: 9200520]
  • L D Lehman-McKeeman, D R Johnson, D Caudill. Induction and inhibition of mouse cytochrome P-450 2B enzymes by musk xylene. Toxicology and applied pharmacology. 1997 Jan; 142(1):169-77. doi: 10.1006/taap.1996.7927. [PMID: 9007046]
  • K S Helbling, P Schmid, C Schlatter. The trace analysis of musk xylene in biological samples: problems associated with its ubiquitous occurrence. Chemosphere. 1994 Aug; 29(3):477-84. doi: 10.1016/0045-6535(94)90436-7. [PMID: 7922153]
  • K Minegishi, S Nambaru, M Fukuoka, A Tanaka, T Nishimaki-Mogami. Distribution, metabolism, and excretion of musk xylene in rats. Archives of toxicology. 1991; 65(4):273-82. doi: 10.1007/bf01968961. [PMID: 1953346]
  • R A Ford, A M Api, P M Newberne. 90-day dermal toxicity study and neurotoxicity evaluation of nitromusks in the albino rat. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 1990 Jan; 28(1):55-61. doi: 10.1016/0278-6915(90)90136-b. [PMID: 2312014]